Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0F2AD
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| Former ID |
DIB019751
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| Drug Name |
dioscin
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| Synonyms |
Dioscin; 19057-60-4; Collettiside III; Dioscine; CHEBI:74023; CCRIS 4123; UNII-3B95U4OLWV; 3-O-(Rhaalpha1-4(Rhaalpha1-2)Glcbeta)-(25R)-spirost-5-en-3beta-ol; 3-O-[alpha-L-Rha-(1->4)-[alpha-L-Rha-(1->2)]-beta-D-Glc]-diosgenin; 3-O-[alpha-L-Rhap-(1->4)-[alpha-L-Rhap-(1->2)]-beta-D-Glcp]-diosgenin; (25R)-spirost-5-en-3beta-yl alpha-L-rhamnopyranosyl-(1->2)-[alpha-L-mannopyranosyl-(1->4)]-beta-D-glucopyranoside; 3B95U4OLWV; AC1L3OGN; Dioscin(Collettiside III); Dioscin (Collettiside III); GTPL840
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| Drug Type |
Small molecular drug
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| Indication | Hepatic fibrosis [ICD-11: DB93.0; ICD-10: K74.0; ICD-9: 709.2] | Preclinical | [1] | |
| Structure |
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Download2D MOL
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| Formula |
C45H72O16
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| Canonical SMILES |
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)OC1
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| InChI |
1S/C45H72O16/c1-19-9-14-45(54-18-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(52)34(50)32(48)22(4)56-41)37(53)38(29(17-46)58-42)59-40-35(51)33(49)31(47)21(3)55-40/h7,19-22,24-42,46-53H,8-18H2,1-6H3/t19-,20+,21+,22+,24+,25-,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1
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| InChIKey |
VNONINPVFQTJOC-ZGXDEBHDSA-N
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| CAS Number |
CAS 19057-60-4
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| PubChem Compound ID | ||||
| PubChem Substance ID |
11090, 10238407, 14840947, 15933642, 29300171, 57339398, 80797285, 103580769, 103818027, 104407876, 118055388, 124360702, 124757771, 125164575, 135650191, 136349508, 136367639, 137290150, 162037923, 162064800, 162187661, 163614426, 163614535, 163626642, 163908054, 164828665, 210280221, 210282200, 215767604, 224319034, 226838239, 252216682, 252359559, 252450033
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| ChEBI ID |
CHEBI:74023
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | C-X-C chemokine receptor type 3 (CXCR3) | Target Info | Antagonist | [2] |
| KEGG Pathway | Cytokine-cytokine receptor interaction | |||
| Chemokine signaling pathway | ||||
| NetPath Pathway | IL2 Signaling Pathway | |||
| Panther Pathway | Inflammation mediated by chemokine and cytokine signaling pathway | |||
| Pathway Interaction Database | CXCR3-mediated signaling events | |||
| Reactome | Chemokine receptors bind chemokines | |||
| G alpha (i) signalling events | ||||
| WikiPathways | GPCRs, Class A Rhodopsin-like | |||
| Peptide GPCRs | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| GPCRs, Other | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Drugs and Targets in Fibrosis. Front Pharmacol. 2017 Nov 23;8:855. | |||
| REF 2 | Discovery of structurally diverse natural product antagonists of chemokine receptor CXCR3. Mol Divers. 2005;9(1-3):123-9. | |||
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